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74274-01-4 molecular structure
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2-(quinolin-2-yl)ethan-1-amine dihydrochloride

ChemBase ID: 259963
Molecular Formular: C11H14Cl2N2
Molecular Mass: 245.14826
Monoisotopic Mass: 244.05340382
SMILES and InChIs

SMILES:
n1c2c(ccc1CCN)cccc2.Cl.Cl
Canonical SMILES:
NCCc1ccc2c(n1)cccc2.Cl.Cl
InChI:
InChI=1S/C11H12N2.2ClH/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10;;/h1-6H,7-8,12H2;2*1H
InChIKey:
SUSNPJMXNKBBBG-UHFFFAOYSA-N

Cite this record

CBID:259963 http://www.chembase.cn/molecule-259963.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(quinolin-2-yl)ethan-1-amine dihydrochloride
IUPAC Traditional name
2-(quinolin-2-yl)ethanamine dihydrochloride
Synonyms
2-(quinolin-2-yl)ethan-1-amine dihydrochloride
CAS Number
74274-01-4
MDL Number
MFCD11109969
PubChem SID
164315873
PubChem CID
12631868

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-44173 external link Add to cart Please log in.
Data Source Data ID
PubChem 12631868 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4258534  LogD (pH = 7.4) -0.57617396 
Log P 1.5751536  Molar Refractivity 52.6299 cm3
Polarizability 22.190556 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.32 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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